7,8-dimethoxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one

C13H14N2O3 — CID 10377246

IUPAC7,8-dimethoxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
SMILESCOc1cc2c(cc1OC)C1=NNC(=O)CC1C2
InChIInChI=1S/C13H14N2O3/c1-17-10-4-7-3-8-5-12(16)14-15-13(8)9(7)6-11(10)18-2/h4,6,8H,3,5H2,1-2H3,(H,14,16)
InChIKeyMBGHQHDXQCWEQI-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.10
Rot. Bonds2

About 7,8-dimethoxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one

7,8-dimethoxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one (PubChem CID 10377246) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 7,8-dimethoxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one.

Molecular Properties

Compound Name7,8-dimethoxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
PubChem CID10377246
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name7,8-dimethoxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one
SMILESCOc1cc2c(cc1OC)C1=NNC(=O)CC1C2
InChIInChI=1S/C13H14N2O3/c1-17-10-4-7-3-8-5-12(16)14-15-13(8)9(7)6-11(10)18-2/h4,6,8H,3,5H2,1-2H3,(H,14,16)
InChIKeyMBGHQHDXQCWEQI-UHFFFAOYSA-N
XLogP1.10
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one?
The IUPAC name of 7,8-dimethoxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one (CID 10377246) is 7,8-dimethoxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one.
What is the SMILES notation for 7,8-dimethoxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one?
The canonical SMILES for 7,8-dimethoxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one is COc1cc2c(cc1OC)C1=NNC(=O)CC1C2.
What is the InChIKey of 7,8-dimethoxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one?
The InChIKey is MBGHQHDXQCWEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-17-10-4-7-3-8-5-12(16)14-15-13(8)9(7)6-11(10)18-2/h4,6,8H,3,5H2,1-2H3,(H,14,16).
What are the key properties of 7,8-dimethoxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one?
7,8-dimethoxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one has a molecular weight of 246.27 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-3-one is sourced from PubChem (CID 10377246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).